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MALONIC ACID, 2-(6,6-DIMETHYL-3-OXOBICYCLO[3.1.1]HEPT-2-YLMETHYL)-, DIETHYL ESTER, (DIASTEREOMERES)
SpectraBase Compound ID 3gXenafMmWw
InChI InChI=1S/C17H26O5/c1-5-21-15(19)12(16(20)22-6-2)9-11-13-7-10(8-14(11)18)17(13,3)4/h10-13H,5-9H2,1-4H3/t10-,11?,13+/m1/s1
InChIKey QBICOIBHOUTTPV-XEEJXUNPSA-N
Mol Weight 310.39 g/mol
Molecular Formula C17H26O5
Exact Mass 310.178024 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2ri5Wuqw1ZD
Name MALONIC ACID, 2-(6,6-DIMETHYL-3-OXOBICYCLO[3.1.1]HEPT-2-YLMETHYL)-, DIETHYL ESTER, (DIASTEREOMERES)
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Formula C17H26O5
InChI InChI=1S/C17H26O5/c1-5-21-15(19)12(16(20)22-6-2)9-11-13-7-10(8-14(11)18)17(13,3)4/h10-13H,5-9H2,1-4H3/t10-,11?,13+/m1/s1
InChIKey QBICOIBHOUTTPV-XEEJXUNPSA-N
Instrument Name 8230
Molecular Weight 310.1773
SMILES C1(CC(C(OCC)=O)C(OCC)=O)C(=O)C[C@]2(C[C@@]1(C2(C)C)[H])[H]
SPLASH splash10-00kg-9730000000-3d3678baa1ef10e89ad2
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany